Iron in PDB 3mom: Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution

The structure of Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution, PDB code: 3mom was solved by S.Lovell, K.P.Battaile, G.Jepkorir, J.C.Rodriguez, H.Rui, W.Im, A.Y.Alontaga, E.Yukl, P.Moenne-Loccoz, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.64 / 2.25
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	47.373, 46.378, 81.088, 90.00, 97.10, 90.00
R / Rfree (%)	21.4 / 26.7

The binding sites of Iron atom in the Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution (pdb code 3mom). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution, PDB code: 3mom:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe186 b:34.9 occ:1.00 FE A:HEM186 0.0 34.9 1.0 NB A:HEM186 1.9 31.4 1.0 ND A:HEM186 2.0 38.0 1.0 NC A:HEM186 2.0 34.0 1.0 NA A:HEM186 2.1 35.7 1.0 OH A:TYR75 2.2 31.0 1.0 N1 A:IMD185 2.3 32.6 1.0 C4B A:HEM186 2.9 33.7 1.0 C4D A:HEM186 3.0 40.3 1.0 C1C A:HEM186 3.0 33.1 1.0 C1B A:HEM186 3.0 31.2 1.0 C1A A:HEM186 3.0 37.8 1.0 C1D A:HEM186 3.1 38.2 1.0 C4C A:HEM186 3.1 35.4 1.0 C5 A:IMD185 3.1 31.2 1.0 C4A A:HEM186 3.2 32.7 1.0 CZ A:TYR75 3.2 34.0 1.0 CHC A:HEM186 3.3 31.7 1.0 CHA A:HEM186 3.3 39.0 1.0 C2 A:IMD185 3.4 34.2 1.0 CHB A:HEM186 3.5 33.3 1.0 CHD A:HEM186 3.5 37.9 1.0 CE1 A:TYR75 3.9 36.9 1.0 CE2 A:TYR75 4.0 35.0 1.0 ND1 A:HIS83 4.0 34.7 1.0 C3B A:HEM186 4.1 31.0 1.0 C2B A:HEM186 4.2 27.1 1.0 C3D A:HEM186 4.2 39.6 1.0 C2D A:HEM186 4.3 37.3 1.0 C2A A:HEM186 4.3 40.4 1.0 C2C A:HEM186 4.3 31.7 1.0 C3A A:HEM186 4.3 38.8 1.0 C3C A:HEM186 4.3 32.9 1.0 C4 A:IMD185 4.4 31.2 1.0 N3 A:IMD185 4.5 34.5 1.0 CB A:HIS83 4.6 36.3 1.0 CG A:HIS83 4.6 35.9 1.0 CE1 A:HIS83 4.9 38.4 1.0 CE A:MET141 4.9 36.3 1.0

Iron binding site 2 out of 2 in the Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Holo Hasap H32A Mutant Complexed with Imidazole From Pseudomonas Aeruginosa to 2.25A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe187 b:33.5 occ:1.00 FE B:HEM187 0.0 33.5 1.0 NB B:HEM187 2.0 31.2 1.0 NC B:HEM187 2.0 31.0 1.0 ND B:HEM187 2.0 29.2 1.0 NA B:HEM187 2.0 32.2 1.0 N3 B:IMD185 2.1 37.2 1.0 OH B:TYR75 2.2 37.4 1.0 C4C B:HEM187 2.9 29.2 1.0 C1B B:HEM187 3.0 33.4 1.0 C1D B:HEM187 3.0 31.2 1.0 CZ B:TYR75 3.0 36.5 1.0 C4B B:HEM187 3.0 30.8 1.0 C4A B:HEM187 3.0 31.8 1.0 C1C B:HEM187 3.0 28.9 1.0 C2 B:IMD185 3.0 37.8 1.0 C4D B:HEM187 3.0 31.4 1.0 C1A B:HEM187 3.1 32.1 1.0 C4 B:IMD185 3.2 38.3 1.0 CHD B:HEM187 3.3 30.1 1.0 CHB B:HEM187 3.4 31.1 1.0 CHC B:HEM187 3.4 30.3 1.0 CHA B:HEM187 3.5 31.7 1.0 CE2 B:TYR75 3.7 36.9 1.0 CE1 B:TYR75 3.7 34.3 1.0 ND1 B:HIS83 3.8 34.2 1.0 C2B B:HEM187 4.2 32.3 1.0 C3C B:HEM187 4.2 29.1 1.0 C3B B:HEM187 4.2 30.8 1.0 N1 B:IMD185 4.2 38.2 1.0 C2D B:HEM187 4.3 31.4 1.0 C2C B:HEM187 4.3 28.0 1.0 C3A B:HEM187 4.3 31.7 1.0 C3D B:HEM187 4.3 32.4 1.0 C2A B:HEM187 4.3 32.5 1.0 C5 B:IMD185 4.3 39.6 1.0 CE1 B:HIS83 4.5 37.8 1.0 CG B:HIS83 4.7 37.4 1.0 CD2 B:TYR75 4.8 36.2 1.0 CD1 B:TYR75 4.8 33.1 1.0 CB B:HIS83 4.9 36.9 1.0

G.Jepkorir, J.C.Rodriguez, H.Rui, W.Im, S.Lovell, K.P.Battaile, A.Y.Alontaga, E.T.Yukl, M.Rivera. Structural, uc(Nmr) Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore Hasap From Pseudomonas Aeruginosa. J.Am.Chem.Soc. V. 132 9857 2010.
ISSN: ISSN 0002-7863
PubMed: 20572666
DOI: 10.1021/JA103498Z